SCHEMBL9508090

SCHEMBL9508090

CN1C(=O)C(N)C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.41
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ELANE P08246 1/20 0.40
MDM2 Q00987 4/20 0.39
GFER P55789 1/20 0.39
BRD4 O60885 3/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9511293 1.00 KMT2A (0.45) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL9511305 1.00 KMT2A (0.45) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL13557184 0.78 KMT2A (0.50) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL9203085 0.75 HTT (0.51) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL9203080 0.75 HTT (0.51) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL9203076 0.75 HTT (0.51) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL2733150 0.74 TSHR (0.65) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL2733147 0.74 TSHR (0.65) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL14159334 0.73 ELANE (0.61) KMT2AMEN1TSHRALDH1A1ATM
SCHEMBL16104845 0.72 ELANE (0.44) KMT2AMEN1TSHRALDH1A1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1022829-C Synthesis of beta-lactams with metal compounds UNIV UTRECHT (NL) 1993-11-24 CN disclosed
EP-0281177-B1 A SYNTHESIS FOR BETA-LACTAMS WITH THE AID OF A METAL COMPOUND RIJKSUNIVERSITEIT UTRECHT (NL) 1993-09-01 EP disclosed
US-4898955-A INTERMEDIATE FOR PREPARING TRANS-B-LACTAMS GIST-BROCADES N.V. (NL) 1990-02-06 US disclosed
EP-0281177-A1 A synthesis for beta-lactams with the aid of a metal compound RIJKSUNIVERSITEIT UTRECHT (NL) 1988-09-07 EP disclosed
CN-88100703-A Synthesis of beta-lactams with metal compounds 1988-08-17 CN disclosed